Spiro(cyclopentane-1,2'(1'H)-(1,3,5)triazino(1,2-a)benzimidazol)-4'(3'H)-one, 3'-methyl-
Basic information
- CAS
87575-83-5- Standard SMILES
CN1C(=O)n2c(nc3ccccc32)NC12CCCC2- InChIKey
RSTCJFYJBPUTDV-UHFFFAOYSA-N- Molecular formula
- C14H16N4O
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.13241115
Names & identifiers
- Preferred name
- Spiro(cyclopentane-1,2'(1'H)-(1,3,5)triazino(1,2-a)benzimidazol)-4'(3'H)-one, 3'-methyl-
- IUPAC
- 3-methylspiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-2,1'-cyclopentane]-4-one
Names & synonyms
Spiro(cyclopentane-1,2'(1'H)-(1,3,5)triazino(1,2-a)benzimidazol)-4'(3'H)-one, 3'-methyl-87575-83-5SCHEMBL10991649DTXSID10236479RSTCJFYJBPUTDV-UHFFFAOYSA-N3'-Methyl-10'H-spiro[cyclopentane-1,2'-[1,3,5]triazino[1,2-a][1,3]benzimidazol]-4'(3'H)-one3-Methyl-4-oxo-1,2,3,4-tetrahydrospiro[1,3,5-triazino-[1,2-a]benzimidazole-2,1'-cyclopentane]3-Methyl-4-oxo-1,2,3,4-tetrahydrospiro[1,3,5-triazino[1,2-a]benzimidazole-2,1'-cyclopentane]
Database identifiers
- CAS
87575-83-5- PubChem CID
- 159113
- DTXSID
DTXSID10236479
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 393
Related reactions
2 records
Compound notes
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